sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid

C11H24NNaO4 — CID 175594507

IUPACsodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid
SMILESCCC(=O)O.CCC(C)C.[H-].[H]/N=C(\C)C(=O)O.[Na+]
InChIInChI=1S/C5H12.C3H5NO2.C3H6O2.Na.H/c1-4-5(2)3;1-2(4)3(5)6;1-2-3(4)5;;/h5H,4H2,1-3H3;4H,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;;+1;-1/b;4-2+;;;
InChIKeyNKMNHWDAMNQARZ-IIDAYTPUSA-N
MW257.31 g/mol
LogP-0.24
Rot. Bonds3

About sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid

sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid (PubChem CID 175594507) has the molecular formula C11H24NNaO4 and a molecular weight of 257.31 g/mol. Its IUPAC name is sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid.

Molecular Properties

Compound Namesodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid
PubChem CID175594507
Molecular FormulaC11H24NNaO4
Molecular Weight257.31 g/mol
Exact Mass257.16
IUPAC Namesodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid
SMILESCCC(=O)O.CCC(C)C.[H-].[H]/N=C(\C)C(=O)O.[Na+]
InChIInChI=1S/C5H12.C3H5NO2.C3H6O2.Na.H/c1-4-5(2)3;1-2(4)3(5)6;1-2-3(4)5;;/h5H,4H2,1-3H3;4H,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;;+1;-1/b;4-2+;;;
InChIKeyNKMNHWDAMNQARZ-IIDAYTPUSA-N
XLogP-0.24
TPSA98.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid
CID 175594517
sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene
CID 175594549
hex-1-ene;2-iminopropanoic acid;propanoic acid
CID 175594560
hept-1-ene;2-iminopropanoic acid;propanoic acid
CID 175594538
acetic acid;2-methylbutane
CID 172862544
2-iminopentan-3-one;methanol
CID 144635571
tris(carbonofluoridic acid);2-methylbutane
CID 175037504
2-methylpropyl 2-iminopropanoate
CID 91480020
3-imino-4-methylhexan-2-one
CID 174544860
acetic acid;cobalt;propanoic acid
CID 173406712
calcium;magnesium;hydride;propanoic acid
CID 173031104
mercury(2+);propanoic acid
CID 23623813

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid?
The IUPAC name of sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid (CID 175594507) is sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid.
What is the SMILES notation for sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid?
The canonical SMILES for sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid is CCC(=O)O.CCC(C)C.[H-].[H]/N=C(\C)C(=O)O.[Na+].
What is the InChIKey of sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid?
The InChIKey is NKMNHWDAMNQARZ-IIDAYTPUSA-N. The full InChI is InChI=1S/C5H12.C3H5NO2.C3H6O2.Na.H/c1-4-5(2)3;1-2(4)3(5)6;1-2-3(4)5;;/h5H,4H2,1-3H3;4H,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;;+1;-1/b;4-2+;;;.
What are the key properties of sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid?
sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid has a molecular weight of 257.31 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid is sourced from PubChem (CID 175594507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).